(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

C19H15N3O4S — CID 8945124

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCn1nc(CC(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O
InChIInChI=1S/C19H15N3O4S/c1-22-19(24)14-6-3-2-5-13(14)15(20-22)10-18(23)25-11-12-9-16(26-21-12)17-7-4-8-27-17/h2-9H,10-11H2,1H3
InChIKeyIMAXNJOVUWEWLY-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.94
Rot. Bonds5

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (PubChem CID 8945124) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
PubChem CID8945124
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCn1nc(CC(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O
InChIInChI=1S/C19H15N3O4S/c1-22-19(24)14-6-3-2-5-13(14)15(20-22)10-18(23)25-11-12-9-16(26-21-12)17-7-4-8-27-17/h2-9H,10-11H2,1H3
InChIKeyIMAXNJOVUWEWLY-UHFFFAOYSA-N
XLogP2.94
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985279
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
CID 8972367
[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 167857970
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 8649683
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375750
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 8938838
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-methoxy-1-methylpyrazole-4-carboxylate
CID 45497902
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (CID 8945124) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is Cn1nc(CC(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is IMAXNJOVUWEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-22-19(24)14-6-3-2-5-13(14)15(20-22)10-18(23)25-11-12-9-16(26-21-12)17-7-4-8-27-17/h2-9H,10-11H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 381.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 8945124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).